SCHEMBL20970520

SCHEMBL20970520

CC(C)NC(=O)C1CCN(C(C)S)C1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.51
MEN1 O00255 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
TSHR P16473 2/20 0.51
KDM4E B2RXH2 1/20 0.44
POLB P06746 2/20 0.41
CHRNB2 P17787 1/20 0.39
CHRNB4 P30926 1/20 0.39
CHRNA3 P32297 1/20 0.39
CHRNA7 P36544 1/20 0.39
CHRNA4 P43681 1/20 0.39
HTT P42858 1/20 0.39
MAPT P10636 1/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 2/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
HPGD P15428 1/20 0.36
RAB9A P51151 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL18705030 0.86 MEN1 (0.54) KMT2AMEN1SMN1; SMN2TSHRKDM4E
SCHEMBL20965464 0.79 KMT2A (0.54) KMT2AMEN1SMN1; SMN2TSHRKDM4E
SCHEMBL23320233 0.79 NOTUM (0.40) POLBMAPTLMNA
SCHEMBL2758655 0.79 KMT2A (0.62) KMT2AMEN1SMN1; SMN2TSHRKDM4E
SCHEMBL20315439 0.78 TSHR (0.60) KMT2AMEN1SMN1; SMN2TSHRKDM4E
SCHEMBL14883715 0.77 KMT2A (0.56) KMT2AMEN1SMN1; SMN2TSHRKDM4E
SCHEMBL21486168 0.75 TSHR (0.60) KMT2AMEN1SMN1; SMN2TSHRKDM4E
SCHEMBL18713112 0.74 TSHR (0.47) KMT2AMEN1SMN1; SMN2TSHRKDM4E
SCHEMBL20381996 0.73 SMN1; SMN2 (0.51) KMT2AMEN1SMN1; SMN2TSHRKDM4E
SCHEMBL25514716 0.73 KMT2A (0.59) KMT2AMEN1SMN1; SMN2TSHRKDM4E

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190127375-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2019-05-02 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20190127375-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, ROR1, BRAF KMT2A 1448/4885MEN1 1015/4885SMN1; SMN2 989/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.